input word = C00063499

Metabolite InformationStructural formula
Name Cornusiin B
Formula C48H30O30
Mw 1086.08218963
CAS RN 95263-70-0
C_ID C00063499
InChIKey NELJHVPUFBRAMZ-HDJMFDPVSA-N
InChICode InChI=1S/C48H30O30/c49-8-24(74-48(71)15-6-20(54)32(60)37(65)38(15)73-23-7-14-28-27-13(46(69)78-42(28)34(23)62)5-21(55)33(61)41(27)77-47(14)70)40(76-43(66)10-1-16(50)29(57)17(51)2-10)39-22(56)9-72-44(67)11-3-18(52)30(58)35(63)25(11)26-12(45(68)75-39)4-19(53)31(59)36(26)64/h1-8,22,24,39-40,50-65H,9H2
SMILES O=CC(OC(=O)c1cc(O)c(O)c(O)c1Oc1cc2c(=O)oc3c(O)c(O)cc4c(=O)oc(c1O)c2c34)C(OC(=O)c1cc(O)c(O)c(O)c1)C1OC(=O)c2cc(O)c(O)c(O)c2-c2c(cc(O)c(O)c2O)C(=O)OCC1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCornaceae/Aucubaceae/Garryaceae/HelwingiaceaeCornus officinalis Ref.
PlantaeLythraceaePunica granatum Ref.
zoom in